Analysis of influence of substituents on electrochemical oxidation and reduction potentials of aromatic and heterocyclic compounds, on the basis of the dependence of electronic effects of the substituents in ?-systems on the character of the ?-molecular orbitals

Abstract

The influence of substituents on the electrochemical potentials of aromatic and heterocyclic π-systems has been analyzed from the standpoint of the relationship between the electronic effects of the substituents and the structure of the π-molecular orbitals. The proposed calculational schemes and parametrization can be used for quantitative estimates of the magnitudes of the electrochemical oxidation and reduction potentials of substituted aromatic and heterocyclic compounds.